SCHEMBL4865656

SCHEMBL4865656

Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cc1OC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.62
ERBB2 P04626 13/20 0.62
KCNH2 Q12809 1/20 0.60
EPHA2 P29317 1/20 0.58
KDR P35968 1/20 0.58
EPHB4 P54760 1/20 0.58
LCK P06239 1/20 0.57
ERBB3 P21860 1/20 0.56
ERBB4 Q15303 1/20 0.56
AURKA O14965 1/20 0.55
RPS6KB1 P23443 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21835333 0.92 EGFR (0.70) EGFRERBB2KCNH2EPHA2KDR
SCHEMBL21835375 0.91 EGFR (0.74) EGFRERBB2KCNH2EPHA2KDR
SCHEMBL2249689 0.90 EGFR (0.69) EGFRERBB2KCNH2EPHA2KDR
SCHEMBL13195990 0.90 EGFR (0.73) EGFRERBB2KCNH2EPHA2KDR
SCHEMBL17498553 0.90 EGFR (0.73) EGFRERBB2KCNH2EPHA2KDR
SCHEMBL4868102 0.87 ERBB2 (0.59) EGFRERBB2KCNH2EPHA2KDR
SCHEMBL2255348 0.87 EGFR (0.69) EGFRERBB2EPHA2KDREPHB4
SCHEMBL4864889 0.86 ERBB2 (0.67) EGFRERBB2KCNH2LCKERBB3
SCHEMBL21835274 0.86 EGFR (0.73) EGFRERBB2KCNH2LCKAURKA
SCHEMBL4861063 0.85 EGFR (0.64) EGFRERBB2LCKERBB3ERBB4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844022-B1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI SCIENCE CO LTD (KR) 2013-08-14 EP claimed
JP-2008525522-A 2008-07-17 JP claimed
US-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof HANMI PHARM CO., LTD (KR) 2008-01-10 US claimed
EP-1844022-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2007-10-17 EP claimed
WO-2006071017-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO claimed
EP-1844022-B1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI SCIENCE CO LTD (KR) 2013-08-14 EP disclosed
US-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof HANMI PHARM CO., LTD (KR) 2008-01-10 US disclosed
EP-1844022-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2007-10-17 EP disclosed
WO-2006071017-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof MKI67, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EGFR 1400/4885ERBB2 1693/4885KCNH2 2317/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.